Physics – General Physics
Scientific paper
Apr 1984
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1984phrva..29.1742p&link_type=abstract
Physical Review A - General Physics, 3rd Series (ISSN 0556-2791), vol. 29, April 1984, p. 1742-1748. Research supported by the U
Physics
General Physics
205
Data Correlation, Electron Scattering, Molecular Collisions, Molecular Gases, Optical Polarization, Hydrogen, Mathematical Models, Nitrogen, Potential Theory, Scattering Cross Sections
Scientific paper
A model potential that includes both correlation and polarization effects is proposed for electron-molecule collisions. It is based, as suggested by O'Connell and Lane, on a hybridization of local electron-gas theory for short distances and the asymptotic form of the polarization potential. It is energy independent and very simple to apply, depending only on the molecular charge density and polarizabilities. The potential has been calculated for several molecules (H2, N2, CO2, HF, HCl, and CO); the crossing point between the correlation and polarization potentials is remarkably constant, averaging 0.96 eV. Application in scattering calculations for H2 and N2 yields very encouraging results.
Norcross D. W.
Padial N. T.
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